4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione

C13H18N4O2 — CID 112584497

IUPAC4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
SMILESCCC(NC)c1ccc(N2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C13H18N4O2/c1-3-10(14-2)11-5-4-9(6-15-11)17-7-12(18)16-13(19)8-17/h4-6,10,14H,3,7-8H2,1-2H3,(H,16,18,19)
InChIKeyVSFRTYGDLFCLLR-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.21
Rot. Bonds4

About 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione

4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione (PubChem CID 112584497) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
PubChem CID112584497
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
SMILESCCC(NC)c1ccc(N2CC(=O)NC(=O)C2)cn1
InChIInChI=1S/C13H18N4O2/c1-3-10(14-2)11-5-4-9(6-15-11)17-7-12(18)16-13(19)8-17/h4-6,10,14H,3,7-8H2,1-2H3,(H,16,18,19)
InChIKeyVSFRTYGDLFCLLR-UHFFFAOYSA-N
XLogP0.21
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
4-[6-[1-(methylamino)ethyl]-3-pyridinyl]piperazine-2,6-dione
CID 83127640
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939349
3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
CID 115939594
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
1-[6-[1-(propylamino)propyl]-3-pyridinyl]-1,4-diazepan-5-one
CID 115939578
methyl 1-[6-[1-(methylamino)propyl]-3-pyridinyl]-1,2,4-triazole-3-carboxylate
CID 115939850
N-methyl-1-[5-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]propan-1-amine
CID 115939817
4-(4-ethoxyphenyl)piperazine-2,6-dione
CID 63789608

Frequently Asked Questions

What is the IUPAC name of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione?
The IUPAC name of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione (CID 112584497) is 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione?
The canonical SMILES for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione is CCC(NC)c1ccc(N2CC(=O)NC(=O)C2)cn1.
What is the InChIKey of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione?
The InChIKey is VSFRTYGDLFCLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-10(14-2)11-5-4-9(6-15-11)17-7-12(18)16-13(19)8-17/h4-6,10,14H,3,7-8H2,1-2H3,(H,16,18,19).
What are the key properties of 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione?
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione has a molecular weight of 262.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione is sourced from PubChem (CID 112584497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).